SCHEMBL16401878

SCHEMBL16401878

COc1ccc(C(OC(C(=O)C(C)C)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.49
TAAR1 Q96RJ0 2/20 0.48
HINT1 P49773 8/20 0.46
HPGD P15428 1/20 0.46
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK14 Q16539 2/20 0.42
NT5E P21589 1/20 0.42
PNP P00491 1/20 0.41
KRAS P01116 1/20 0.41
XDH P47989 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17599828 0.92 TYMP (0.49) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL16401843 0.90 TYMP (0.48) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL6831440 0.89 TYMP (0.48) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2108532 0.88 TYMP (0.54) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL10446715 0.85 TYMP (0.44) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL6835146 0.85 TYMP (0.45) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2108884 0.85 TYMP (0.53) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL9320640 0.85 TAAR1 (0.44) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL16401489 0.82 TYMP (0.48) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL7100209 0.81 TYMP (0.54) TYMPTAAR1HINT1HPGDGSK3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004131-B1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2020-07-22 EP disclosed
US-10669301-B2 Phosphoramidite building blocks for sugar-conjugated oligonucleotides AM CHEMICALS LLC (US) 2020-06-02 US disclosed
US-20180362572-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2018-12-20 US disclosed
EP-3004131-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM Chemicals Llc (US) 2016-04-13 EP disclosed
WO-2014197714-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2014-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10669301-B2 Phosphoramidite building blocks for sugar-conjugated oligonucleotides DERA, FBP1, PNKP TYMP 4/4885TAAR1 4635/4885HINT1 497/4885
US-20180362572-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES DERA, TYMP, PAICS TYMP 2/4885TAAR1 4701/4885HINT1 422/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.